4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C85H80F2N16O5 — CID 161332020

IUPAC4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.Cc1ccc2cccc(-c3cc(-c4c(C)noc4C)cc4[nH]c(C)nc34)c2c1.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C24H21N3O.C22H20N4O2.C21H20F2N4O.C18H19N5O/c1-13-8-9-17-6-5-7-19(20(17)10-13)21-11-18(23-14(2)27-28-15(23)3)12-22-24(21)26-16(4)25-22;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18;1-9-8-24-10(2)17(9)14-5-13(18-11(3)27-28-12(18)4)6-16-19(14)26-20(25-16)15-7-21(15,22)23;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-12H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);5-6,15H,7-8H2,1-4H3,(H,25,26);6-8H,1-5H3,(H,20,21)
InChIKeyVLNSZXFZORWLEG-UHFFFAOYSA-N
MW1443.68 g/mol
LogP20.02
Rot. Bonds9

About 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 161332020) has the molecular formula C85H80F2N16O5 and a molecular weight of 1443.68 g/mol. Its IUPAC name is 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID161332020
Molecular FormulaC85H80F2N16O5
Molecular Weight1443.68 g/mol
Exact Mass1442.65
IUPAC Name4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.Cc1ccc2cccc(-c3cc(-c4c(C)noc4C)cc4[nH]c(C)nc34)c2c1.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1
InChIInChI=1S/C24H21N3O.C22H20N4O2.C21H20F2N4O.C18H19N5O/c1-13-8-9-17-6-5-7-19(20(17)10-13)21-11-18(23-14(2)27-28-15(23)3)12-22-24(21)26-16(4)25-22;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18;1-9-8-24-10(2)17(9)14-5-13(18-11(3)27-28-12(18)4)6-16-19(14)26-20(25-16)15-7-21(15,22)23;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-12H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);5-6,15H,7-8H2,1-4H3,(H,25,26);6-8H,1-5H3,(H,20,21)
InChIKeyVLNSZXFZORWLEG-UHFFFAOYSA-N
XLogP20.02
TPSA278.12 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.68
LogP ≤ 520.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

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4-[2-cyclopropyl-7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
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US20240025884, Example 444
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4-[2-cyclopropyl-7-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
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3,5-dimethyl-4-[2-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3H-benzimidazol-5-yl]-1,2-oxazole
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4-[7-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
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N-[22-[5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)-1H-benzimidazol-4-yl]quinolin-2-yl]-3-methyl-4-oxa-5,13,20,22-tetrazahexacyclo[16.6.1.17,11.02,6.012,17.019,23]hexacosa-1(25),2,5,7,9,11(26),12(17),13,15,18,20,23-dodecaen-21-yl]cyclopropanesulfonamide
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1-[1-[1-[[2-[7-acetyl-1-[1-[[2-[7-acetyl-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-fluoro-1-methylindazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]cyclopropyl]methyl]-6-fluoro-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
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4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(2-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3,5-dimethyl-2H-pyrrol-4-yl)-1H-benzimidazol-2-yl]-fluoromethanamine
CID 157164962

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 161332020) is 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CC1=NCC(C)=C1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3(F)F)nc12.Cc1ccc2cccc(-c3cc(-c4c(C)noc4C)cc4[nH]c(C)nc34)c2c1.Cc1nc2c(-c3c(C)cnn3C)cc(-c3c(C)noc3C)cc2[nH]1.Cc1nc2c(-c3cccc4c3CCC(=O)N4)cc(-c3c(C)noc3C)cc2[nH]1.
What is the InChIKey of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VLNSZXFZORWLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O.C22H20N4O2.C21H20F2N4O.C18H19N5O/c1-13-8-9-17-6-5-7-19(20(17)10-13)21-11-18(23-14(2)27-28-15(23)3)12-22-24(21)26-16(4)25-22;1-11-21(12(2)28-26-11)14-9-17(22-19(10-14)23-13(3)24-22)15-5-4-6-18-16(15)7-8-20(27)25-18;1-9-8-24-10(2)17(9)14-5-13(18-11(3)27-28-12(18)4)6-16-19(14)26-20(25-16)15-7-21(15,22)23;1-9-8-19-23(5)18(9)14-6-13(16-10(2)22-24-11(16)3)7-15-17(14)21-12(4)20-15/h5-12H,1-4H3,(H,25,26);4-6,9-10H,7-8H2,1-3H3,(H,23,24)(H,25,27);5-6,15H,7-8H2,1-4H3,(H,25,26);6-8H,1-5H3,(H,20,21).
What are the key properties of 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1443.68 g/mol, XLogP of 20.02, 9 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-2H-pyrrol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[2-methyl-7-(7-methylnaphthalen-1-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-1H-benzimidazol-4-yl]-3,4-dihydro-1H-quinolin-2-one;4-[7-(1,4-dimethylpyrazol-5-yl)-2-methyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 161332020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).